6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C114H116F4N26O4S — CID 157184014

About 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157184014) has the molecular formula C114H116F4N26O4S and a molecular weight of 2022.42 g/mol. Its IUPAC name is 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157184014
• Molecular Formula: C114H116F4N26O4S
• Molecular Weight: 2022.42 g/mol
• Exact Mass: 2020.93
• IUPAC Name: 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(C4CNCSC4)cc3)nc2n(-c2ccccc2)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2cccn2CC(F)(F)F)c1=O.CCn1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21.Cc1cccc(F)c1Cn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc21
• InChI: InChI=1S/C32H33FN6O.C31H34F3N7O.C26H28N8O.C25H21N5OS/c1-21-4-3-5-29(33)28(21)20-39-30-24(18-23(31(39)40)9-8-22-6-7-22)19-35-32(37-30)36-25-10-12-26(13-11-25)38(2)27-14-16-34-17-15-27;1-21(2)8-9-22-16-23-17-35-30(37-25-12-10-24(11-13-25)36-26-6-4-14-39(3)18-26)38-28(23)41(29(22)42)19-27-7-5-15-40(27)20-31(32,33)34;1-3-34-24-19(15-18(25(34)35)6-11-23-28-13-14-33(23)2)16-29-26(32-24)31-21-9-7-20(8-10-21)30-22-5-4-12-27-17-22;1-2-17-12-19-14-27-25(29-23(19)30(24(17)31)22-6-4-3-5-7-22)28-21-10-8-18(9-11-21)20-13-26-16-32-15-20/h3-5,10-13,18-19,22,27,34H,6-7,14-17,20H2,1-2H3,(H,35,36,37);5,7,10-13,15-17,21,26,36H,4,6,14,18-20H2,1-3H3,(H,35,37,38);7-10,13-16,22,27,30H,3-5,12,17H2,1-2H3,(H,29,31,32);1,3-12,14,20,26H,13,15-16H2,(H,27,28,29)
• InChIKey: AOWZFQGGXCONCE-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 328.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.42
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 157184014) is 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(C4CNCSC4)cc3)nc2n(-c2ccccc2)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2cccn2CC(F)(F)F)c1=O.CCn1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21.Cc1cccc(F)c1Cn1c(=O)c(C#CC2CC2)cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc21.

What is the InChIKey of 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AOWZFQGGXCONCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O.C31H34F3N7O.C26H28N8O.C25H21N5OS/c1-21-4-3-5-29(33)28(21)20-39-30-24(18-23(31(39)40)9-8-22-6-7-22)19-35-32(37-30)36-25-10-12-26(13-11-25)38(2)27-14-16-34-17-15-27;1-21(2)8-9-22-16-23-17-35-30(37-25-12-10-24(11-13-25)36-26-6-4-14-39(3)18-26)38-28(23)41(29(22)42)19-27-7-5-15-40(27)20-31(32,33)34;1-3-34-24-19(15-18(25(34)35)6-11-23-28-13-14-33(23)2)16-29-26(32-24)31-21-9-7-20(8-10-21)30-22-5-4-12-27-17-22;1-2-17-12-19-14-27-25(29-23(19)30(24(17)31)22-6-4-3-5-7-22)28-21-10-8-18(9-11-21)20-13-26-16-32-15-20/h3-5,10-13,18-19,22,27,34H,6-7,14-17,20H2,1-2H3,(H,35,36,37);5,7,10-13,15-17,21,26,36H,4,6,14,18-20H2,1-3H3,(H,35,37,38);7-10,13-16,22,27,30H,3-5,12,17H2,1-2H3,(H,29,31,32);1,3-12,14,20,26H,13,15-16H2,(H,27,28,29).

What are the key properties of 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2022.42 g/mol, XLogP of 17.18, 22 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-phenyl-2-[4-(1,3-thiazinan-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157184014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).